CID 28826180
PubChem CID
28826180
Structure
Molecular Formula
Status
Non-live
Molecular Weight
262.30 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-nitrobenzaldehyde
InChI=1S/C14H18N2O3/c1-10-5-11(2)8-15(7-10)14-4-3-13(16(18)19)6-12(14)9-17/h3-4,6,9-11H,5,7-8H2,1-2H3/t10-,11-/m0/s1
ZIYRFRFFMDFOCX-QWRGUYRKSA-N
C[C@H]1C[C@@H](CN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C=O)C
C14H18N2O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
262.30 g/mol
Property Name
XLogP3-AA
Property Value
3.1
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
262.13174244 g/mol
Property Name
Monoisotopic Mass
Property Value
262.13174244 g/mol
Property Name
Topological Polar Surface Area
Property Value
66.1 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
332
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS